Chemical ID: 6716497

Cc1cc([nH+]c(c1C#N)Nc2cccc(c2)Cl)C
Chemical ID:
6716497
Name [?]:
2-(3-chlorophenyl)amino-4,6-dimethyl-1H-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc([nH+]c(c1C#N)Nc2cccc(c2)Cl)C
InChi [?]:
InChI=1/C14H12ClN3/c1-9-6-10(2)17-14(13(9)8-16)18-12-5-3-4-11(15)7-12/h3-7H,1-2H3,(H,17,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,18,13,14,12,3,16,8,2,4,15,11,7,6,17,9,5,10/rA:18nCCCCN+CCCNNCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;d12;s13;d14;d11s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN3+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-19.938
Area:450.525
Solvation:-31.2011
Coulombic:-7.02723
Bond Count [?]
All:19
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:258.726
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.24
LogP (Chemaxon):3.66

Name Annotations

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Descriptor Annotations

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